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Compound Detail

CHEMBL3900787

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c1ccc2c(c1)CC[C@H]1CCNCCCN21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3900787
Phase Preclinical
Structure Type MOL
InChI Key HVGLAIHDNYRABY-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

216.3
MW (Da)
2.19
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20N2
MW 216.33
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
27864071 10.1016/j.bmcl.2016.11.016 5-hydroxytryptamine receptor 2C 1
27864071 10.1016/j.bmcl.2016.11.016 5-hydroxytryptamine receptor 2B 1

Data from ChEMBL 36 via Core Engine